1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione
TL;DR: 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione (CAS 71786-65-7) is a chemical compound with molecular formula C22H13N3O4 and molecular weight 383.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(9,10-dioxoanthracen-1-yl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile
Also Known As: 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione, (5Z)-5-[[(9,10-dioxoanthracen-1-yl)amino]methylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile, 3-Pyridinecarbonitrile, 5-(((9,10-dihydro-9,10-dioxo-1-anthracenyl)imino)methyl)-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, 3-Pyridinecarbonitrile, 5-(((9,10-dihydro-9,10-dioxo-1-anthracenyl)imino)methyl)-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-, 3-Pyridinecarbonitrile, 5-[[(9,10-dihydro-9,10-dioxo-1-anthracenyl)imino]methyl]-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-
| Molecular Formula | C22H13N3O4 |
|---|---|
| Molecular Weight | 383.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.0906 |
| Heavy Atoms | 29 |
| Complexity | 920.0 |
Chemical Identifiers
| CAS Number | 71786-65-7 |
|---|---|
| SMILES | CC1=C(C(=O)NC(=C1C=NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)O)C#N |
| InChIKey | HYCCDMIQCZZNGK-UHFFFAOYSA-N |
Product Overview
1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione (CAS 71786-65-7), with molecular formula C22H13N3O4 and molecular weight 383.09 g/mol. IUPAC: 5-[(9,10-dioxoanthracen-1-yl)iminomethyl]-6-hydroxy-4-methyl-2-oxo-1H-pyridine-3-carbonitrile.
Chemical Property Profile of 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione
Property Insights of 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione. Following Lipinski's Rule of Five, 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione?
The CAS number of 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione is 71786-65-7.
What is the molecular formula of 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione?
The molecular formula of 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione is C22H13N3O4.
What is the molecular weight of 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione?
The molecular weight of 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione is 383.09 g/mol.
Where can I buy 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione?
You can request a quote for 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(((5-Cyano-2,6-dihydroxy-4-methyl-3-pyridyl)methylene)amino)-9,10-anthracenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.